Geometry & MOs

Info

ID:	331524
PubChem CID:	127248931
Reduced:	FSN2O4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	438.138006
ΔH_f, kcal/mol:	-185.9
Dipole, Da:	1.97
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[2-(4-chlorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxyazepan-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)COC)O)CCOC3=CC=C(C=C3)F

DOS

IR

Vibrations